SCHEMBL5374199

SCHEMBL5374199

Brc1ccc(CSc2nc(Nc3ccccc3)n[nH]2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 3/20 0.43
GFER P55789 2/20 0.43
METAP2 P50579 3/20 0.40
SMN1; SMN2 Q16637 7/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MMP2 P08253 1/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5385647 0.88 METAP2 (0.42) MAPTTP53GAAMETAP2SMN1; SMN2
SCHEMBL5385659 0.88 KCNH3 (0.36) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL5385685 0.87 PIK3CA (0.39) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL5378866 0.85 GAA (0.43) MAPTGAAGFERMETAP2SMN1; SMN2
SCHEMBL5372105 0.85 SMN1; SMN2 (0.43) MAPTTP53GAAGFERMETAP2
SCHEMBL5372169 0.84 METAP2 (0.41) MAPTTP53GAAMETAP2SMN1; SMN2
SCHEMBL5381720 0.81 ALDH1A1 (0.41) MAPTGAAMETAP2SMN1; SMN2NPC1
SCHEMBL5373504 0.80 METAP2 (0.62) MAPTGAAGFERMETAP2SMN1; SMN2
SCHEMBL5382906 0.79 METAP2 (0.57) MAPTTP53GAAGFERMETAP2
SCHEMBL5387637 0.76 METAP2 (0.43) MAPTTP53GAAMETAP2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP MAPT 2319/4885TP53 1750/4885GAA 2089/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.